GREENS-FUNCTION CALCULATIONS OF THE HYPERFINE INTERACTION FOR IMPURITIES IN METALS AND FOR METALLIC INTERFACES

被引：12

作者：

DEDERICHS, PH ^{[1
]}

LANG, P ^{[1
]}

WILLENBORG, K ^{[1
]}

ZELLER, R ^{[1
]}

PAPANIKOLAOU, N ^{[1
]}

STEFANOU, N ^{[1
]}

机构：

[1] UNIV ATHENS, SOLID STATE SECT, GR-15784 ATHENS, GREECE

来源：

HYPERFINE INTERACTIONS | 1993年 / 78卷 / 1-4期

关键词：

D O I：

10.1007/BF00568159

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

We present local density functional calculations for magnetic impurities and magnetic monolayers in non-magnetic metals. The calculations employ a multiple scattering (KKR) Green's function method for impurities in the bulk and for ideal surfaces and interfaces. In particular we discuss the moment formation of 3d and 4d impurities in alkali and noble metals. Special emphasis is put on an accurate calculation of the host polarization around 3d impurities in Cu and Pd. While the calculated impurity hyperfine fields in Cu contain rather large errors due to the local density approximation, the induced fields of the Cu atoms agree very well with experiments. We also present similar calculations for magnetic monolayers and the corresponding induced host polarization in Cu and Pd.

引用

页码：341 / 359

页数：19

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